N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen

C24H32N2O6 — CID 143860750

IUPACN-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen
SMILESCOc1cccc(Oc2cccc(C(=O)N[C@H]3CO[C@@H]4CCO[C@H]34)c2)c1.NC(=O)C1CC1.[H][H].[H][H]
InChIInChI=1S/C20H21NO5.C4H7NO.2H2/c1-23-14-5-3-7-16(11-14)26-15-6-2-4-13(10-15)20(22)21-17-12-25-18-8-9-24-19(17)18;5-4(6)3-1-2-3;;/h2-7,10-11,17-19H,8-9,12H2,1H3,(H,21,22);3H,1-2H2,(H2,5,6);2*1H/t17-,18+,19+;;;/m0.../s1
InChIKeyHUKJMBLEVGWXHE-USZTXGDLSA-N
MW444.53 g/mol
LogP3.15
Rot. Bonds6

About N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen

N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen (PubChem CID 143860750) has the molecular formula C24H32N2O6 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen
PubChem CID143860750
Molecular FormulaC24H32N2O6
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC NameN-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen
SMILESCOc1cccc(Oc2cccc(C(=O)N[C@H]3CO[C@@H]4CCO[C@H]34)c2)c1.NC(=O)C1CC1.[H][H].[H][H]
InChIInChI=1S/C20H21NO5.C4H7NO.2H2/c1-23-14-5-3-7-16(11-14)26-15-6-2-4-13(10-15)20(22)21-17-12-25-18-8-9-24-19(17)18;5-4(6)3-1-2-3;;/h2-7,10-11,17-19H,8-9,12H2,1H3,(H,21,22);3H,1-2H2,(H2,5,6);2*1H/t17-,18+,19+;;;/m0.../s1
InChIKeyHUKJMBLEVGWXHE-USZTXGDLSA-N
XLogP3.15
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen
CID 143860762
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen
CID 143860821
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;2-(3-methoxyphenoxy)-N-methylbenzamide
CID 143860783
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen
CID 143860799
N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide
CID 70968785
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-phenoxybenzamide
CID 91794686
methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate
CID 115617221
N-(2-bromocyclopentyl)-3-methoxybenzamide
CID 80662437
N-(2-tert-butylcyclohexyl)-3-methoxybenzamide
CID 17146888
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxyphenoxy)benzamide
CID 10154995

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen?
The IUPAC name of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen (CID 143860750) is N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen.
What is the SMILES notation for N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen?
The canonical SMILES for N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen is COc1cccc(Oc2cccc(C(=O)N[C@H]3CO[C@@H]4CCO[C@H]34)c2)c1.NC(=O)C1CC1.[H][H].[H][H].
What is the InChIKey of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen?
The InChIKey is HUKJMBLEVGWXHE-USZTXGDLSA-N. The full InChI is InChI=1S/C20H21NO5.C4H7NO.2H2/c1-23-14-5-3-7-16(11-14)26-15-6-2-4-13(10-15)20(22)21-17-12-25-18-8-9-24-19(17)18;5-4(6)3-1-2-3;;/h2-7,10-11,17-19H,8-9,12H2,1H3,(H,21,22);3H,1-2H2,(H2,5,6);2*1H/t17-,18+,19+;;;/m0.../s1.
What are the key properties of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen?
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen has a molecular weight of 444.53 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen is sourced from PubChem (CID 143860750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).